Geometry & MOs

Info

ID:	132616
PubChem CID:	51386648
Reduced:	N2O6H27C28 (1)
Stoich.:	A2B6C27D28 (1)
Weight, g/mol:	262.036031
ΔH_f, kcal/mol:	-126.86
Dipole, Da:	9.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767260
Charge, e:	-1

Chem-info

IUPAC name:

(5E)-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazol-4-olate

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2[C@]3(C1=O)C(=C(C4=CC=C(C=C4)OCC=C)[O-])C(=O)C(=O)N3C[C@H]5CCCO5

DOS

IR

Vibrations